2,5-Dichloronicotinic acid - ≥97%(GC) , CAS No.59782-85-3

CAS: 59782-85-3 Cat. No.: D119959 Summenformel: C₆H₃Cl₂NO₂ Molekulargewicht: 192 EG-Nummer: 692-370-0

GRADE & PURITY ≥97%(GC)

Synonyms

SCHEMBL915781 | 2,5-Dichloronicotinic acid, AldrichCPR | DTXSID50371116 | 2,5-dichloropyridine-3-carboxylic Acid | 3-PYRIDINECARBOXYLIC ACID, 2,5-DICHLORO- | AKOS005071148 | AM808270 | 2,5-dichloronicotinicacid | 2,5-Dichloronicotinic acid | EN300-134315

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

SCHEMBL915781 | 2,5-Dichloronicotinic acid, AldrichCPR | DTXSID50371116 | 2,5-dichloropyridine-3-carboxylic Acid | 3-PYRIDINECARBOXYLIC ACID, 2,5-DICHLORO- | AKOS005071148 | AM808270 | 2,5-dichloronicotinicacid | 2,5-Dichloronicotinic acid | EN300-134315

Spezifikationen & Reinheit

≥97%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%(GC)

Namen und Kennungen

• Pubchem Sid: 488192776
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192776
• Kanonisches Lächeln: C1=C(C=NC(=C1C(=O)O)Cl)Cl
• IUPAC Name: 2,5-dichloropyridine-3-carboxylic acid
• InChIKey: SXQSMLIMBNMUNB-UHFFFAOYSA-N
• INCHI: 1S/C6H3Cl2NO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11)
• Isomere SMILES: C1=C(C=NC(=C1C(=O)O)Cl)Cl
• WGK Deutschland: 3
• Molekulargewicht: 192
• Reaxy-Rn: 389586
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=389586&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Polyhalopyridines 2-halopyridines Aryl chlorides Vinylogous halides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Vinylogous halide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Schmelzpunkt (°C): 156-158°C
• Molekulargewicht: 192.000 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 190.954 Da
• Monoisotopic Mass: 190.954 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 165.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 59782-85-3, the molecular formula is C6H3Cl2NO2, and the molecular weight is 192 g/mol. InChIKey SXQSMLIMBNMUNB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.